1-(cyclobutylmethyl)-4-[4-[(2-methyl-4-pyridinyl)oxy]phenyl]-2-oxopyridine-3-carbonitrile

C23H21N3O2 — CID 70694131

IUPAC1-(cyclobutylmethyl)-4-[4-[(2-methyl-4-pyridinyl)oxy]phenyl]-2-oxopyridine-3-carbonitrile
SMILESCc1cc(Oc2ccc(-c3ccn(CC4CCC4)c(=O)c3C#N)cc2)ccn1
InChIInChI=1S/C23H21N3O2/c1-16-13-20(9-11-25-16)28-19-7-5-18(6-8-19)21-10-12-26(15-17-3-2-4-17)23(27)22(21)14-24/h5-13,17H,2-4,15H2,1H3
InChIKeyJACATKNSBVVHPN-UHFFFAOYSA-N
MW371.44 g/mol
LogP4.68
Rot. Bonds5

About 1-(cyclobutylmethyl)-4-[4-[(2-methyl-4-pyridinyl)oxy]phenyl]-2-oxopyridine-3-carbonitrile

1-(cyclobutylmethyl)-4-[4-[(2-methyl-4-pyridinyl)oxy]phenyl]-2-oxopyridine-3-carbonitrile (PubChem CID 70694131) has the molecular formula C23H21N3O2 and a molecular weight of 371.44 g/mol. Its IUPAC name is 1-(cyclobutylmethyl)-4-[4-[(2-methyl-4-pyridinyl)oxy]phenyl]-2-oxopyridine-3-carbonitrile.

Molecular Properties

Compound Name1-(cyclobutylmethyl)-4-[4-[(2-methyl-4-pyridinyl)oxy]phenyl]-2-oxopyridine-3-carbonitrile
PubChem CID70694131
Molecular FormulaC23H21N3O2
Molecular Weight371.44 g/mol
Exact Mass371.16
IUPAC Name1-(cyclobutylmethyl)-4-[4-[(2-methyl-4-pyridinyl)oxy]phenyl]-2-oxopyridine-3-carbonitrile
SMILESCc1cc(Oc2ccc(-c3ccn(CC4CCC4)c(=O)c3C#N)cc2)ccn1
InChIInChI=1S/C23H21N3O2/c1-16-13-20(9-11-25-16)28-19-7-5-18(6-8-19)21-10-12-26(15-17-3-2-4-17)23(27)22(21)14-24/h5-13,17H,2-4,15H2,1H3
InChIKeyJACATKNSBVVHPN-UHFFFAOYSA-N
XLogP4.68
TPSA67.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.44
LogP ≤ 54.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(cyclobutylmethyl)-4-[4-[(2-methyl-4-pyridinyl)oxy]phenyl]-2-oxopyridine-3-carbonitrile?
The IUPAC name of 1-(cyclobutylmethyl)-4-[4-[(2-methyl-4-pyridinyl)oxy]phenyl]-2-oxopyridine-3-carbonitrile (CID 70694131) is 1-(cyclobutylmethyl)-4-[4-[(2-methyl-4-pyridinyl)oxy]phenyl]-2-oxopyridine-3-carbonitrile.
What is the SMILES notation for 1-(cyclobutylmethyl)-4-[4-[(2-methyl-4-pyridinyl)oxy]phenyl]-2-oxopyridine-3-carbonitrile?
The canonical SMILES for 1-(cyclobutylmethyl)-4-[4-[(2-methyl-4-pyridinyl)oxy]phenyl]-2-oxopyridine-3-carbonitrile is Cc1cc(Oc2ccc(-c3ccn(CC4CCC4)c(=O)c3C#N)cc2)ccn1.
What is the InChIKey of 1-(cyclobutylmethyl)-4-[4-[(2-methyl-4-pyridinyl)oxy]phenyl]-2-oxopyridine-3-carbonitrile?
The InChIKey is JACATKNSBVVHPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N3O2/c1-16-13-20(9-11-25-16)28-19-7-5-18(6-8-19)21-10-12-26(15-17-3-2-4-17)23(27)22(21)14-24/h5-13,17H,2-4,15H2,1H3.
What are the key properties of 1-(cyclobutylmethyl)-4-[4-[(2-methyl-4-pyridinyl)oxy]phenyl]-2-oxopyridine-3-carbonitrile?
1-(cyclobutylmethyl)-4-[4-[(2-methyl-4-pyridinyl)oxy]phenyl]-2-oxopyridine-3-carbonitrile has a molecular weight of 371.44 g/mol, XLogP of 4.68, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclobutylmethyl)-4-[4-[(2-methyl-4-pyridinyl)oxy]phenyl]-2-oxopyridine-3-carbonitrile is sourced from PubChem (CID 70694131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).